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Compound Detail

CHEMBL2413848

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Cc1ccc2[nH]c(C(=O)N3CCC(CC(=O)O)CC3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2413848
Phase Preclinical
Structure Type MOL
InChI Key QSTRMHABOYMJLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.80
ALogP
2
HBA
2
HBD
73.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O3
MW 300.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
23845281 10.1016/j.bmc.2013.06.025 Aldo-keto reductase family 1 member C3 1

Data from ChEMBL 36 via Core Engine